General
Preferred name
ROQUEFORTINE C
Synonyms
P&D ID
PD018692
CAS
58735-64-1
Tags
available
natural product
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
5
Organisms
0
Compound Sets
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
389.19
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
3
Ring Count
5
Aromatic Ring Count
2
cLogP
2.38
TPSA
90.12
Fraction CSP3
0.32
Chiral centers
3.0
Largest ring
6.0
QED
0.56
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Membrane Transporter/Ion Channel
Metabolic Enzyme/Protease
Target
Bacterial
Cytochrome P450
Endogenous Metabolite
P-glycoprotein
Source data
